X5J5Q1_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5Q1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J5Q1_MOUSE|X5J5Q1
PSLVKPPQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVIPEDTGTYYCARDYYGSSYFDYWGQGTT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	47	Very low	70.1	Confident	180 Å²	180	110.7 Å²	110.7	100%	1.169	65%	0.652	S	S	*	*				0	107.2	0	2.4	19.7	0	0	0	110.2	L3	P1-L3 PolarHBondContact O-N 3.42Å
2	S	48.8	Very low	72.1	Confident	115 Å²	115	101.9 Å²	101.9	80%	0.804	60%	0.6	S	S	*	*			trans	-73.5	118.4	-179.8	-36.6	0	0	0	0	109.1	V4	S2-V4 PolarHBondContact O-N 3.19Å
3	L	53	Low	73.9	Confident	176 Å²	176	96.6 Å²	96.6	92%	0.921	57%	0.569	S	S	*	*			trans	-65.3	102.7	168.1	-102.2	93.8	0	0	0	107.7	P1 K5	P1-L3 PolarHBondContact O-N 3.42Å; L3-K5 PolarHBondContact O-N 3.41Å
4	V	57.5	Low	75.3	Confident	132 Å²	132	90 Å²	90	80%	0.8	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-66.6	116.7	168.2	-175.3	0	0	0	0	106.2	S2	S2-V4 PolarHBondContact O-N 3.19Å
5	K	61.8	Low	76.5	Confident	141 Å²	141	88.5 Å²	88.5	61%	0.613	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-58.2	131	176.8	-165	179.1	-173.2	-169.5	0	107.9	L3 Q8	L3-K5 PolarHBondContact O-N 3.41Å; K5-Q8 VanDerWaalsContact NZ-CD 3.29Å
6	P	66.4	Low	77.3	Confident	96 Å²	96	83.8 Å²	83.8	62%	0.623	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-58.4	150	178.9	22.5	-32.3	0	0	0	110.2	Q8	P6-Q8 PolarHBondContact O-N 3.07Å; P6-Q8 VanDerWaalsContact O-N 3.16Å
7	P	72.5	Confident	78	Confident	106 Å²	106	84.8 Å²	84.8	69%	0.688	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-51.3	124.2	171.9	-22.3	31.4	0	0	0	109.5
8	Q	87.4	Confident	78.4	Confident	94 Å²	94	84.9 Å²	84.9	44%	0.439	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-90.2	140.7	176.4	-69.5	175.1	103.2	0	0	108.8	K5 P6 S76 V77	K5-Q8 VanDerWaalsContact NZ-CD 3.29Å; P6-Q8 PolarHBondContact O-N 3.07Å; P6-Q8 VanDerWaalsContact O-N 3.16Å; Q8-S76 PolarHBondContact O-N 3.3Å; Q8-V77 HydrophobicContact CB-CB 4.38Å; Q8-V77 WeakPolarHBondContact O-CG2 3.03Å; Q8-V77 PolarHBondContact O-N 2.8Å
9	T	90.8	Very high	78.8	Confident	73 Å²	73	83.1 Å²	83.1	45%	0.448	52%	0.518	S	S	.	.			trans	-110.8	130.5	171.8	-64.3	0	0	0	0	108.3	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.6Å; T9-L74 WeakPolarHBondContact CA-O 3.36Å; T9-N75 VanDerWaalsContact CG2-OD1 3.29Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T9-N75 PolarHBondContact OG1-OD1 2.9Å
10	L	91.3	Very high	79.2	Confident	40 Å²	40	81 Å²	81	21%	0.209	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.8	171.2	174.4	64.1	0	0	0	108.3	L12 Q73 L74 V77 Y85 T105	L10-L12 HydrophobicContact CD1-CD2 4.21Å; L10-L12 HydrophobicContact CD1-CG 4.18Å; L10-L12 HydrophobicContact CD2-CD1 3.93Å; L10-L12 HydrophobicContact CD2-CG 4.28Å; L10-L12 HydrophobicContact CG-CD1 4.19Å; L10-L12 HydrophobicContact CG-CG 4.02Å; L10-Q73 CarbonylContact O-C 3.57Å; L10-Q73 WeakPolarHBondContact O-CA 3.4Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 PolarHBondContact N-O 2.77Å; L10-L74 PolarHBondContact O-N 2.81Å; L10-V77 HydrophobicContact CB-CG2 3.73Å; L10-Y85 HydrophobicContact CD2-CD2 4.36Å; L10-Y85 HydrophobicContact CD2-CE1 4.3Å; L10-Y85 HydrophobicContact CD2-CE2 3.75Å; L10-T105 HydrophobicContact CD1-CG2 4.22Å
11	S	94.1	Very high	79.7	Confident	65 Å²	65	77.2 Å²	77.2	46%	0.455	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	172.3	-65.2	0	0	0	0	108.3	L72	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.48Å
12	L	94.6	Very high	81.8	Confident	5 Å²	5	72.2 Å²	72.2	3%	0.026	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.8	179.9	-68.6	165.3	0	0	0	109.5	L10 W28 F71 L72 Y85 T104 T105	L10-L12 HydrophobicContact CD1-CD2 4.21Å; L10-L12 HydrophobicContact CD1-CG 4.18Å; L10-L12 HydrophobicContact CD2-CD1 3.93Å; L10-L12 HydrophobicContact CD2-CG 4.28Å; L10-L12 HydrophobicContact CG-CD1 4.19Å; L10-L12 HydrophobicContact CG-CG 4.02Å; L12-W28 HydrophobicContact CB-CH2 3.66Å; L12-W28 HydrophobicContact CB-CZ2 4.25Å; L12-W28 HydrophobicContact CB-CZ3 4.03Å; L12-W28 HydrophobicContact CD1-CZ3 4.23Å; L12-F71 CarbonylContact O-C 3.57Å; L12-F71 VanDerWaalsContact O-CA 3.24Å; L12-F71 WeakPolarHBondContact O-CA 3.17Å; L12-L72 HydrophobicContact CB-CB 4.29Å; L12-L72 HydrophobicContact CD1-CD2 3.93Å; L12-L72 PolarHBondContact N-O 2.86Å; L12-L72 PolarHBondContact O-N 2.88Å; L12-Y85 HydrophobicContact CD1-CD1 3.55Å; L12-Y85 HydrophobicContact CD1-CD2 3.92Å; L12-Y85 HydrophobicContact CD1-CE1 4.19Å; L12-Y85 HydrophobicContact CD1-CG 3.38Å; L12-T104 WeakPolarHBondContact CA-O 3.36Å; L12-T105 HydrophobicContact CD2-CG2 3.81Å
13	T	95.4	Very high	83.5	Confident	33 Å²	33	68.5 Å²	68.5	20%	0.202	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.2	176.2	-56.6	0	0	0	0	109.5	Q69 F71 G103 T104	T13-Q69 HydrophobicContact CG2-CB 4.41Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; T13-F71 HydrophobicContact CG2-CD1 3.84Å; T13-F71 HydrophobicContact CG2-CE1 3.5Å; T13-F71 HydrophobicContact CG2-CZ 4.41Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.38Å; T13-G103 WeakPolarHBondContact O-CA 3.42Å; T13-T104 PolarHBondContact N-O 2.95Å; T13-T104 PolarHBondContact O-N 3.38Å; T13-T104 PolarHBondContact O-OG1 2.58Å
14	C	93.8	Very high	85	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.027	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.8	163.7	-177	0	0	0	0	109.2	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; C14-Q69 VanDerWaalsContact O-CA 3.31Å; C14-Q69 WeakPolarHBondContact O-CA 3.25Å; C14-F70 HydrophobicContact CB-CD1 4Å; C14-F70 HydrophobicContact CB-CE1 3.57Å; C14-F70 HydrophobicContact CB-CE2 4.25Å; C14-F70 HydrophobicContact CB-CZ 3.74Å; C14-F70 PolarHBondContact N-O 2.78Å; C14-F70 PolarHBondContact O-N 3.34Å; C14-F70 VanDerWaalsContact SG-CE1 3.55Å; C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 VanDerWaalsContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.44Å; C14-C87 CovalentContact SG-SG 2.04Å; C14-C87 PolarHBondContact SG-SG 2.77Å
15	S	93.3	Very high	86.6	Confident	67 Å²	67	56.1 Å²	56.1	47%	0.469	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.6	174.5	-57.8	0	0	0	0	109.1	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.43Å; S15-Q69 PolarHBondContact OG-NE2 3.39Å
16	V	89.7	Confident	88.1	Confident	13 Å²	13	49.5 Å²	49.5	8%	0.079	32%	0.324	C	S	.	.			trans	-89.1	132.4	-179.5	177.6	0	0	0	0	109.1	D19 I21 W26 N68 F70 W100	V16-D19 HydrophobicContact CG1-CB 3.98Å; V16-I21 HydrophobicContact CB-CG2 3.96Å; V16-I21 HydrophobicContact CG2-CG2 3.54Å; V16-W26 HydrophobicContact CB-CH2 4.19Å; V16-W26 HydrophobicContact CB-CZ3 4.41Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 4.08Å; V16-W26 HydrophobicContact CG1-CZ3 4.05Å; V16-W26 HydrophobicContact CG2-CD2 4.48Å; V16-W26 HydrophobicContact CG2-CE3 3.89Å; V16-W26 HydrophobicContact CG2-CH2 3.63Å; V16-W26 HydrophobicContact CG2-CZ2 4.27Å; V16-W26 HydrophobicContact CG2-CZ3 3.42Å; V16-W26 VanDerWaalsContact CG2-CZ3 3.42Å; V16-N68 PolarHBondContact N-O 2.82Å; V16-N68 PolarHBondContact O-ND2 2.72Å; V16-F70 HydrophobicContact CG2-CD1 4.24Å; V16-F70 HydrophobicContact CG2-CE1 3.95Å; V16-W100 HydrophobicContact CG1-CE3 3.88Å; V16-W100 HydrophobicContact CG1-CZ3 3.9Å
17	S	88.4	Confident	89.4	Confident	101 Å²	101	45.1 Å²	45.1	71%	0.706	30%	0.295	S	S	*	.			trans	-125.8	142	174.6	63.1	0	0	0	0	109.3	D19	S17-D19 PolarHBondContact O-N 3Å
18	G	85.6	Confident	90.5	Very high	88 Å²	88	40 Å²	40	91%	0.907	26%	0.263	S	S	*	.	S	Bend	trans	78.3	-1.4	-177.3	0	0	0	0	0	115.6
19	D	84.9	Confident	90.8	Very high	49 Å²	49	36.6 Å²	36.6	26%	0.262	25%	0.247	S	C	.	.	S	Bend	trans	-150.4	179	175.8	-144.7	-63.7	0	0	0	111.7	V16 S17 S23 N68 R89 W100	V16-D19 HydrophobicContact CG1-CB 3.98Å; S17-D19 PolarHBondContact O-N 3Å; D19-S23 PolarHBondContact OD1-OG 2.78Å; D19-N68 PolarHBondContact O-ND2 3.26Å; D19-R89 VanDerWaalsContact CG-CZ 3.43Å; D19-R89 VanDerWaalsContact CG-NH2 3.29Å; D19-R89 IonicContact OD1-CZ 2.73Å; D19-R89 VanDerWaalsContact OD1-CZ 3.26Å; D19-R89 IonicContact OD1-NH1 3.68Å; D19-R89 PolarHBondContact OD1-NH1 2.72Å; D19-R89 IonicContact OD1-NH2 3.6Å; D19-R89 PolarHBondContact OD1-NH2 3.1Å; D19-R89 IonicContact OD2-CZ 3.27Å; D19-R89 VanDerWaalsContact OD2-CZ 3.28Å; D19-R89 IonicContact OD2-NH1 2.87Å; D19-R89 PolarHBondContact OD2-NH1 3.34Å; D19-R89 IonicContact OD2-NH2 3.26Å; D19-R89 PolarHBondContact OD2-NH2 3.32Å; D19-W100 HydrophobicContact CB-CH2 3.32Å; D19-W100 HydrophobicContact CB-CZ2 4.28Å; D19-W100 HydrophobicContact CB-CZ3 3.57Å
20	S	88.3	Confident	90.9	Very high	42 Å²	42	33.5 Å²	33.5	29%	0.294	23%	0.227	S	C	.	.			trans	-119.2	131.2	178.7	-176.9	0	0	0	0	112.7	T22 S23 N68	S20-T22 PolarHBondContact O-N 3.06Å; S20-T22 VanDerWaalsContact O-N 3.07Å; S20-T22 PolarHBondContact OG-N 3.21Å; S20-T22 VanDerWaalsContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 2.87Å; S20-S23 PolarHBondContact O-N 3.17Å; S20-S23 VanDerWaalsContact O-N 3.1Å; S20-S23 PolarHBondContact O-OG 2.63Å; S20-N68 WeakPolarHBondContact CA-OD1 3.41Å
21	I	89.9	Confident	91	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.4	171.9	70.2	170	0	0	0	113.7	V16 S23 W26 R63 D64 T65 N68 Q69 F70	V16-I21 HydrophobicContact CB-CG2 3.96Å; V16-I21 HydrophobicContact CG2-CG2 3.54Å; I21-S23 PolarHBondContact O-N 2.87Å; I21-W26 VanDerWaalsContact CA-NE1 3.34Å; I21-W26 HydrophobicContact CG2-CD2 4.36Å; I21-W26 HydrophobicContact CG2-CZ2 4.44Å; I21-R63 HydrophobicContact CD1-CB 3.94Å; I21-D64 WeakPolarHBondContact CD1-O 3.49Å; I21-T65 HydrophobicContact CD1-CG2 4.11Å; I21-T65 HydrophobicContact CG1-CG2 4.22Å; I21-N68 PolarHBondContact N-OD1 2.57Å; I21-Q69 WeakPolarHBondContact CD1-O 3.36Å; I21-F70 HydrophobicContact CG2-CD1 4.12Å
22	T	89.9	Confident	90.8	Very high	74 Å²	74	32.5 Å²	32.5	45%	0.454	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	13.3	174.2	69.2	0	0	0	0	112.4	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.06Å; S20-T22 VanDerWaalsContact O-N 3.07Å; S20-T22 PolarHBondContact OG-N 3.21Å; S20-T22 VanDerWaalsContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 2.87Å; T22-Y45 VanDerWaalsContact C-CB 3.48Å; T22-Y45 VanDerWaalsContact O-CB 3.29Å; T22-Y45 WeakPolarHBondContact O-CB 3.44Å; T22-T65 HydrophobicContact CG2-CG2 3.69Å
23	S	84.5	Confident	90.5	Very high	37 Å²	37	37.5 Å²	37.5	26%	0.259	25%	0.246	S	C	.	.	S	Bend	trans	-136.8	139.9	175.6	69.9	0	0	0	0	110.8	D19 S20 I21 W26 R89	D19-S23 PolarHBondContact OD1-OG 2.78Å; S20-S23 PolarHBondContact O-N 3.17Å; S20-S23 VanDerWaalsContact O-N 3.1Å; S20-S23 PolarHBondContact O-OG 2.63Å; I21-S23 PolarHBondContact O-N 2.87Å; S23-W26 PolarHBondContact O-NE1 2.79Å; S23-R89 PolarHBondContact OG-NH2 3.07Å
24	G	85.9	Confident	90.3	Very high	8 Å²	8	39.4 Å²	39.4	8%	0.082	27%	0.273	C	S	.	.	S	Bend	trans	71.4	-154.8	177.3	0	0	0	0	0	115.1	Y45	G24-Y45 PolarHBondContact O-N 2.99Å
25	Y	90.8	Very high	89.9	Confident	41 Å²	41	45.1 Å²	45.1	16%	0.161	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.7	-179.6	-65.9	-91.8	0	0	0	110.6	N27 Y42 N44 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 3.02Å; Y25-Y42 HydrophobicContact CD1-CD1 4.48Å; Y25-Y42 AromaticContact CD1-CD2 3.64Å; Y25-Y42 HydrophobicContact CD1-CD2 3.64Å; Y25-Y42 HydrophobicContact CD1-CE1 4.45Å; Y25-Y42 AromaticContact CD1-CE2 3.59Å; Y25-Y42 HydrophobicContact CD1-CE2 3.59Å; Y25-Y42 HydrophobicContact CD1-CG 4.15Å; Y25-Y42 HydrophobicContact CE1-CD2 4.23Å; Y25-Y42 AromaticContact CE1-CE2 3.7Å; Y25-Y42 HydrophobicContact CE1-CE2 3.7Å; Y25-Y42 AromaticContact CE1-CZ 3.9Å; Y25-N44 HydrophobicContact CD1-CB 3.46Å; Y25-N44 VanDerWaalsContact CD1-CB 3.46Å; Y25-N44 HydrophobicContact CE1-CB 3.55Å; Y25-N44 HydrophobicContact CG-CB 4.31Å; Y25-R89 CarbonylContact O-C 3.44Å; Y25-R89 VanDerWaalsContact O-CA 3.25Å; Y25-R89 WeakPolarHBondContact O-CA 3.47Å; Y25-R89 WeakPolarHBondContact O-CG 3.48Å; Y25-D90 PolarHBondContact N-O 3.3Å; Y25-D90 PolarHBondContact O-N 3.01Å; Y25-Y92 HydrophobicContact CD2-CD2 4.02Å; Y25-Y92 AromaticContact CD2-CE2 3.85Å; Y25-Y92 HydrophobicContact CD2-CE2 3.85Å; Y25-Y92 AromaticContact CE2-CD1 3.75Å; Y25-Y92 HydrophobicContact CE2-CD1 3.75Å; Y25-Y92 AromaticContact CE2-CD2 3.4Å; Y25-Y92 HydrophobicContact CE2-CD2 3.4Å; Y25-Y92 VanDerWaalsContact CE2-CD2 3.4Å; Y25-Y92 AromaticContact CE2-CE1 3.57Å; Y25-Y92 HydrophobicContact CE2-CE1 3.57Å; Y25-Y92 AromaticContact CE2-CE2 3.13Å; Y25-Y92 HydrophobicContact CE2-CE2 3.13Å; Y25-Y92 AromaticContact CE2-CG 3.67Å; Y25-Y92 HydrophobicContact CE2-CG 3.67Å; Y25-Y92 AromaticContact CE2-CZ 3.22Å; Y25-Y92 AromaticContact CZ-CE1 3.54Å; Y25-Y92 AromaticContact CZ-CE2 3.67Å; Y25-Y92 AromaticContact CZ-CZ 3.23Å; Y25-Y92 VanDerWaalsContact CZ-OH 3.3Å; Y25-Y92 WeakPolarHBondContact OH-CE1 3.27Å; Y25-Y92 PolarHBondContact OH-OH 3.42Å
26	W	92.3	Very high	89.8	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.9	-179.4	-65.6	88.6	0	0	0	109.5	V16 I21 S23 Y42 I43 F70 R89 W100	V16-W26 HydrophobicContact CB-CH2 4.19Å; V16-W26 HydrophobicContact CB-CZ3 4.41Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 4.08Å; V16-W26 HydrophobicContact CG1-CZ3 4.05Å; V16-W26 HydrophobicContact CG2-CD2 4.48Å; V16-W26 HydrophobicContact CG2-CE3 3.89Å; V16-W26 HydrophobicContact CG2-CH2 3.63Å; V16-W26 HydrophobicContact CG2-CZ2 4.27Å; V16-W26 HydrophobicContact CG2-CZ3 3.42Å; V16-W26 VanDerWaalsContact CG2-CZ3 3.42Å; I21-W26 VanDerWaalsContact CA-NE1 3.34Å; I21-W26 HydrophobicContact CG2-CD2 4.36Å; I21-W26 HydrophobicContact CG2-CZ2 4.44Å; S23-W26 PolarHBondContact O-NE1 2.79Å; W26-Y42 CarbonylContact O-C 3.57Å; W26-Y42 WeakPolarHBondContact O-CA 3.42Å; W26-Y42 WeakPolarHBondContact O-CB 3.36Å; W26-I43 HydrophobicContact CB-CG2 4.25Å; W26-I43 PolarHBondContact N-O 2.93Å; W26-I43 PolarHBondContact O-N 2.86Å; W26-F70 HydrophobicContact CB-CD1 4.16Å; W26-F70 HydrophobicContact CB-CD2 4.17Å; W26-F70 HydrophobicContact CB-CE1 3.93Å; W26-F70 HydrophobicContact CB-CE2 3.95Å; W26-F70 HydrophobicContact CB-CG 4.25Å; W26-F70 HydrophobicContact CB-CZ 3.79Å; W26-F70 HydrophobicContact CD2-CD1 4.49Å; W26-F70 HydrophobicContact CD2-CE1 4.01Å; W26-F70 HydrophobicContact CD2-CZ 4.48Å; W26-F70 HydrophobicContact CE3-CD1 4.38Å; W26-F70 AromaticContact CE3-CE1 3.52Å; W26-F70 HydrophobicContact CE3-CE1 3.52Å; W26-F70 AromaticContact CE3-CZ 3.93Å; W26-F70 HydrophobicContact CE3-CZ 3.93Å; W26-F70 HydrophobicContact CG-CD1 4.41Å; W26-F70 HydrophobicContact CG-CE1 4.2Å; W26-F70 HydrophobicContact CG-CZ 4.47Å; W26-F70 HydrophobicContact CZ3-CE1 4.34Å; W26-R89 HydrophobicContact CD2-CB 4.41Å; W26-R89 HydrophobicContact CD2-CG 4.18Å; W26-R89 HydrophobicContact CE3-CB 4.01Å; W26-R89 HydrophobicContact CE3-CG 4.25Å; W26-R89 HydrophobicContact CH2-CB 4.09Å; W26-R89 HydrophobicContact CH2-CG 4.01Å; W26-R89 HydrophobicContact CZ2-CB 4.45Å; W26-R89 HydrophobicContact CZ2-CG 3.89Å; W26-R89 HydrophobicContact CZ3-CB 3.85Å; W26-R89 HydrophobicContact CZ3-CG 4.18Å; W26-W100 HydrophobicContact CE3-CG 4.49Å; W26-W100 AromaticContact CH2-CD2 3.66Å; W26-W100 HydrophobicContact CH2-CD2 3.66Å; W26-W100 AromaticContact CH2-CE2 3.82Å; W26-W100 AromaticContact CH2-CE3 3.84Å; W26-W100 HydrophobicContact CH2-CE3 3.84Å; W26-W100 HydrophobicContact CH2-CG 4.16Å; W26-W100 HydrophobicContact CH2-CH2 4.34Å; W26-W100 HydrophobicContact CH2-CZ2 4.16Å; W26-W100 HydrophobicContact CH2-CZ3 4.18Å; W26-W100 HydrophobicContact CZ3-CB 4.1Å; W26-W100 AromaticContact CZ3-CD1 3.89Å; W26-W100 AromaticContact CZ3-CD2 3.52Å; W26-W100 HydrophobicContact CZ3-CD2 3.52Å; W26-W100 AromaticContact CZ3-CE2 3.95Å; W26-W100 AromaticContact CZ3-CE3 3.98Å; W26-W100 HydrophobicContact CZ3-CE3 3.98Å; W26-W100 AromaticContact CZ3-CG 3.51Å; W26-W100 HydrophobicContact CZ3-CG 3.51Å
27	N	93.6	Very high	89.9	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.9	-166.5	-65.4	-92.4	0	0	0	110.3	Y25 W39 G41 Y42 C87 A88 F97	Y25-N27 PolarHBondContact O-ND2 3.02Å; N27-W39 PolarHBondContact OD1-NE1 3.37Å; N27-G41 WeakPolarHBondContact CA-O 3.22Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.42Å; N27-C87 WeakPolarHBondContact O-CA 3.16Å; N27-A88 HydrophobicContact CB-CB 4.39Å; N27-A88 PolarHBondContact N-O 2.87Å; N27-A88 PolarHBondContact O-N 2.89Å; N27-F97 HydrophobicContact CB-CD1 4.38Å; N27-F97 HydrophobicContact CB-CE1 4.17Å; N27-F97 VanDerWaalsContact CG-CE1 3.42Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.12Å; N27-F97 WeakPolarHBondContact OD1-CE1 3.33Å
28	W	95	Very high	90.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.8	165.7	-78.5	101.9	0	0	0	109.9	L12 C14 M40 G41 F70 L72 Y86	L12-W28 HydrophobicContact CB-CH2 3.66Å; L12-W28 HydrophobicContact CB-CZ2 4.25Å; L12-W28 HydrophobicContact CB-CZ3 4.03Å; L12-W28 HydrophobicContact CD1-CZ3 4.23Å; C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; W28-M40 HydrophobicContact CB-CB 4.12Å; W28-M40 WeakPolarHBondContact O-CB 3.25Å; W28-M40 PolarHBondContact O-N 2.83Å; W28-G41 PolarHBondContact N-O 3.12Å; W28-F70 AromaticContact CD1-CD2 3.94Å; W28-F70 AromaticContact CD1-CE2 3.73Å; W28-F70 HydrophobicContact CD2-CE2 4.27Å; W28-F70 AromaticContact CE2-CD2 3.87Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.33Å; W28-F70 HydrophobicContact CZ2-CD2 4.26Å; W28-F70 HydrophobicContact CZ2-CE2 4.12Å; W28-F70 AromaticContact NE1-CD2 3.22Å; W28-F70 AromaticContact NE1-CE2 3.26Å; W28-F70 VanDerWaalsContact NE1-CE2 3.26Å; W28-L72 HydrophobicContact CB-CD2 4.1Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.83Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 VanDerWaalsContact CE2-CB 3.4Å; W28-L72 HydrophobicContact CE3-CB 4.29Å; W28-L72 HydrophobicContact CE3-CD2 3.94Å; W28-L72 HydrophobicContact CG-CB 3.87Å; W28-L72 HydrophobicContact CG-CD1 4.47Å; W28-L72 HydrophobicContact CG-CD2 3.91Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CH2-CB 4.48Å; W28-L72 HydrophobicContact CZ2-CB 3.87Å; W28-Y86 WeakPolarHBondContact CA-O 3.29Å
29	I	94.2	Very high	90.6	Very high	22 Å²	22	49.7 Å²	49.7	11%	0.113	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.6	-179.8	-56.7	174.6	0	0	0	108	L37 E38 Y86 A88 F97	I29-L37 HydrophobicContact CG2-CB 4.16Å; I29-L37 HydrophobicContact CG2-CD2 4.09Å; I29-E38 CarbonylContact C-O 3.54Å; I29-E38 WeakPolarHBondContact CA-O 3.46Å; I29-Y86 PolarHBondContact N-O 2.99Å; I29-Y86 PolarHBondContact O-N 2.84Å; I29-A88 HydrophobicContact CD1-CB 3.82Å; I29-F97 HydrophobicContact CD1-CD2 4.47Å; I29-F97 HydrophobicContact CD1-CG 4.43Å
30	R	93.4	Very high	91.1	Very high	8 Å²	8	47.3 Å²	47.3	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.6	170.4	177.6	169	64.3	-168.5	12.7	109.8	F32 L37 E38 M40 D81 T84 Y85	R30-F32 VanDerWaalsContact NE-CZ 3.35Å; R30-L37 CarbonylContact O-C 3.57Å; R30-L37 WeakPolarHBondContact O-CA 3.37Å; R30-E38 IonicContact CZ-OE2 3.59Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 3.1Å; R30-E38 PolarHBondContact NE-OE2 3.5Å; R30-E38 VanDerWaalsContact NE-OE2 3.1Å; R30-E38 IonicContact NH2-OE2 3.37Å; R30-E38 PolarHBondContact NH2-OE2 2.87Å; R30-E38 PolarHBondContact O-N 2.99Å; R30-M40 HydrophobicContact CB-CG 4.13Å; R30-M40 HydrophobicContact CB-SD 3.76Å; R30-D81 IonicContact CZ-OD1 3.51Å; R30-D81 IonicContact NH1-OD1 3.14Å; R30-D81 PolarHBondContact NH1-OD1 2.88Å; R30-D81 IonicContact NH2-OD1 2.63Å; R30-T84 CarbonylContact C-O 3.53Å; R30-T84 WeakPolarHBondContact CA-O 3.3Å; R30-Y85 HydrophobicContact CB-CD1 4.24Å; R30-Y85 HydrophobicContact CB-CE1 4.14Å; R30-Y85 HydrophobicContact CG-CD1 4.5Å; R30-Y85 HydrophobicContact CG-CE1 4.16Å
31	Q	93.3	Very high	91.4	Very high	40 Å²	40	45.3 Å²	45.3	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.8	169.1	-175.3	176.7	48.7	0	0	109.8	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.9Å; Q31-K36 CarbonylContact C-O 3.6Å; Q31-K36 WeakPolarHBondContact CA-O 3.34Å; Q31-L37 HydrophobicContact CB-CD2 3.65Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; Q31-G83 CarbonylContact O-C 3.5Å; Q31-G83 WeakPolarHBondContact O-CA 3.48Å; Q31-T84 PolarHBondContact N-O 2.6Å; Q31-T84 PolarHBondContact O-N 2.75Å; Q31-Y86 HydrophobicContact CB-CD2 4.09Å; Q31-Y86 HydrophobicContact CB-CE2 3.51Å; Q31-Y86 HydrophobicContact CG-CE2 4.32Å; Q31-Y86 VanDerWaalsContact OE1-CE2 3.26Å; Q31-Y86 PolarHBondContact OE1-OH 3.15Å
32	F	91	Very high	91.7	Very high	44 Å²	44	48.1 Å²	48.1	19%	0.193	26%	0.263	C	S	.	.			trans	-78.9	160	173.8	-64	-83.8	0	0	0	111.3	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NE-CZ 3.35Å; F32-G34 PolarHBondContact O-N 3.41Å; F32-N35 PolarHBondContact O-N 3.22Å; F32-N35 VanDerWaalsContact O-N 3.07Å; F32-K36 HydrophobicContact CB-CB 4.38Å; F32-K36 HydrophobicContact CD2-CB 4.29Å; F32-K36 HydrophobicContact CD2-CD 4.35Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 WeakPolarHBondContact CD2-O 3.33Å; F32-K36 PolarHBondContact N-O 2.96Å; F32-E38 HydrophobicContact CE2-CB 3.68Å; F32-E38 HydrophobicContact CZ-CB 4.45Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.21Å; F32-E80 VanDerWaalsContact CE1-O 3.27Å; F32-E80 WeakPolarHBondContact CE1-O 3.5Å
33	P	88.3	Confident	91.9	Very high	110 Å²	110	45 Å²	45	71%	0.714	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	130.7	162.5	-24.7	34.5	0	0	0	110.5
34	G	89.9	Confident	92.3	Very high	73 Å²	73	43.7 Å²	43.7	75%	0.753	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	15.1	-172.7	0	0	0	0	0	115	F32 K36	F32-G34 PolarHBondContact O-N 3.41Å; G34-K36 PolarHBondContact O-N 2.98Å
35	N	86.4	Confident	92.5	Very high	123 Å²	123	48.7 Å²	48.7	66%	0.658	25%	0.251	S	S	*	.	S	Bend	trans	66.9	11.4	171	-58.5	-42.5	0	0	0	116.3	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.9Å; F32-N35 PolarHBondContact O-N 3.22Å; F32-N35 VanDerWaalsContact O-N 3.07Å; N35-L37 PolarHBondContact O-N 3.4Å
36	K	91.1	Very high	92.6	Very high	145 Å²	145	50 Å²	50	63%	0.63	27%	0.265	S	S	*	.			trans	-68.7	128	171.5	-177.2	-177.5	177.9	-173.9	0	109.6	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.6Å; Q31-K36 WeakPolarHBondContact CA-O 3.34Å; F32-K36 HydrophobicContact CB-CB 4.38Å; F32-K36 HydrophobicContact CD2-CB 4.29Å; F32-K36 HydrophobicContact CD2-CD 4.35Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 WeakPolarHBondContact CD2-O 3.33Å; F32-K36 PolarHBondContact N-O 2.96Å; G34-K36 PolarHBondContact O-N 2.98Å
37	L	92	Very high	92.6	Very high	106 Å²	106	51.3 Å²	51.3	56%	0.555	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.2	176	-59.7	177	0	0	0	111	I29 R30 Q31 N35	I29-L37 HydrophobicContact CG2-CB 4.16Å; I29-L37 HydrophobicContact CG2-CD2 4.09Å; R30-L37 CarbonylContact O-C 3.57Å; R30-L37 WeakPolarHBondContact O-CA 3.37Å; Q31-L37 HydrophobicContact CB-CD2 3.65Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; N35-L37 PolarHBondContact O-N 3.4Å
38	E	93.8	Very high	92.6	Very high	39 Å²	39	54.3 Å²	54.3	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.7	170.5	174.8	179.6	-122.3	0	0	109.3	I29 R30 F32 M40	I29-E38 CarbonylContact C-O 3.54Å; I29-E38 WeakPolarHBondContact CA-O 3.46Å; R30-E38 IonicContact CZ-OE2 3.59Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 3.1Å; R30-E38 PolarHBondContact NE-OE2 3.5Å; R30-E38 VanDerWaalsContact NE-OE2 3.1Å; R30-E38 IonicContact NH2-OE2 3.37Å; R30-E38 PolarHBondContact NH2-OE2 2.87Å; R30-E38 PolarHBondContact O-N 2.99Å; F32-E38 HydrophobicContact CE2-CB 3.68Å; F32-E38 HydrophobicContact CZ-CB 4.45Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.21Å; E38-M40 PolarHBondContact O-N 2.96Å
39	W	94.3	Very high	92.7	Very high	75 Å²	75	57 Å²	57	28%	0.284	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.2	168.9	176.6	80.9	0	0	0	109.2	N27 G41 Y42 Y51 N52	N27-W39 PolarHBondContact OD1-NE1 3.37Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 2.71Å; W39-Y42 HydrophobicContact CH2-CD1 4.43Å; W39-Y42 AromaticContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CE1 4.27Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; W39-Y51 VanDerWaalsContact CZ3-C 3.48Å; W39-N52 HydrophobicContact CE3-CB 4.04Å; W39-N52 HydrophobicContact CZ3-CB 4.18Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.28Å; W39-N52 WeakPolarHBondContact O-CB 3.4Å; W39-N52 PolarHBondContact O-ND2 2.76Å
40	M	95.3	Very high	92.7	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-35.9	-176.5	-62.1	-176.1	71.2	0	0	112.1	W28 R30 E38 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.12Å; W28-M40 WeakPolarHBondContact O-CB 3.25Å; W28-M40 PolarHBondContact O-N 2.83Å; R30-M40 HydrophobicContact CB-CG 4.13Å; R30-M40 HydrophobicContact CB-SD 3.76Å; E38-M40 PolarHBondContact O-N 2.96Å; M40-N52 PolarHBondContact O-N 3Å; M40-L55 HydrophobicContact CB-CD1 4.28Å; M40-L55 HydrophobicContact CE-CD1 4.29Å; M40-L55 HydrophobicContact CG-CD1 4.05Å; M40-I59 HydrophobicContact CB-CD1 3.85Å; M40-I59 HydrophobicContact CE-CD1 3.41Å; M40-I59 VanDerWaalsContact CE-CD1 3.41Å; M40-I59 HydrophobicContact CE-CG1 4.26Å; M40-I59 HydrophobicContact CG-CD1 4.46Å; M40-L72 HydrophobicContact CE-CD1 4.29Å; M40-L72 HydrophobicContact CE-CD2 3.64Å; M40-L72 HydrophobicContact SD-CD2 3.73Å; M40-L74 HydrophobicContact CE-CD2 4.44Å; M40-Y85 HydrophobicContact CE-CD1 4.32Å; M40-Y85 HydrophobicContact CE-CE1 3.74Å; M40-Y85 HydrophobicContact SD-CD1 3.62Å; M40-Y85 HydrophobicContact SD-CE1 3.54Å; M40-Y85 VanDerWaalsContact SD-CE1 3.54Å
41	G	95.4	Very high	92.8	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164	173.1	-176.9	0	0	0	0	0	112	N27 W28 W39 S50 I61	N27-G41 WeakPolarHBondContact CA-O 3.22Å; W28-G41 PolarHBondContact N-O 3.12Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 2.71Å; G41-S50 CarbonylContact C-O 3.57Å; G41-S50 WeakPolarHBondContact CA-O 3.34Å; G41-I61 VanDerWaalsContact C-CD1 3.44Å
42	Y	95.1	Very high	92.9	Very high	61 Å²	61	59.4 Å²	59.4	24%	0.239	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161.8	170.6	73	-114.1	0	0	0	112.1	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.48Å; Y25-Y42 AromaticContact CD1-CD2 3.64Å; Y25-Y42 HydrophobicContact CD1-CD2 3.64Å; Y25-Y42 HydrophobicContact CD1-CE1 4.45Å; Y25-Y42 AromaticContact CD1-CE2 3.59Å; Y25-Y42 HydrophobicContact CD1-CE2 3.59Å; Y25-Y42 HydrophobicContact CD1-CG 4.15Å; Y25-Y42 HydrophobicContact CE1-CD2 4.23Å; Y25-Y42 AromaticContact CE1-CE2 3.7Å; Y25-Y42 HydrophobicContact CE1-CE2 3.7Å; Y25-Y42 AromaticContact CE1-CZ 3.9Å; W26-Y42 CarbonylContact O-C 3.57Å; W26-Y42 WeakPolarHBondContact O-CA 3.42Å; W26-Y42 WeakPolarHBondContact O-CB 3.36Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.42Å; W39-Y42 HydrophobicContact CH2-CD1 4.43Å; W39-Y42 AromaticContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CE1 4.27Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; Y42-N44 HydrophobicContact CD2-CB 4.43Å; Y42-N44 HydrophobicContact CE2-CB 4.27Å; Y42-T49 VanDerWaalsContact O-CA 3.23Å; Y42-T49 WeakPolarHBondContact O-CA 3.49Å; Y42-S50 VanDerWaalsContact CZ-CB 3.43Å; Y42-S50 PolarHBondContact N-O 3.46Å; Y42-S50 PolarHBondContact O-N 2.97Å; Y42-S50 VanDerWaalsContact O-N 3.12Å
43	I	95.4	Very high	93.1	Very high	7 Å²	7	62.5 Å²	62.5	4%	0.036	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.2	159.8	-169.8	162.6	0	0	0	109.3	W26 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.25Å; W26-I43 PolarHBondContact N-O 2.93Å; W26-I43 PolarHBondContact O-N 2.86Å; I43-T49 HydrophobicContact CB-CG2 3.99Å; I43-T49 HydrophobicContact CD1-CG2 3.96Å; I43-T49 HydrophobicContact CG1-CG2 3.86Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.7Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.74Å; I43-F70 HydrophobicContact CG2-CB 4.26Å; I43-F70 HydrophobicContact CG2-CD2 4.39Å
44	N	92.6	Very high	93.2	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.059	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	175.7	179.9	78.5	-5.3	0	0	0	111.9	Y25 Y42 S46 G47 S48 R63	Y25-N44 HydrophobicContact CD1-CB 3.46Å; Y25-N44 VanDerWaalsContact CD1-CB 3.46Å; Y25-N44 HydrophobicContact CE1-CB 3.55Å; Y25-N44 HydrophobicContact CG-CB 4.31Å; Y42-N44 HydrophobicContact CD2-CB 4.43Å; Y42-N44 HydrophobicContact CE2-CB 4.27Å; N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 3.3Å; N44-S46 PolarHBondContact O-N 3.3Å; N44-S46 VanDerWaalsContact O-N 3.16Å; N44-S46 WeakPolarHBondContact OD1-CA 3.43Å; N44-S46 PolarHBondContact OD1-N 3.03Å; N44-S46 PolarHBondContact OD1-OG 3.39Å; N44-G47 PolarHBondContact O-N 3.1Å; N44-G47 PolarHBondContact OD1-N 2.87Å; N44-S48 PolarHBondContact N-O 2.92Å; N44-S48 WeakPolarHBondContact OD1-CA 3.28Å; N44-S48 WeakPolarHBondContact OD1-CB 3.31Å; N44-S48 PolarHBondContact OD1-N 3Å; N44-S48 PolarHBondContact OD1-O 2.91Å; N44-R63 PolarHBondContact O-NH1 3Å
45	Y	89.7	Confident	93.4	Very high	113 Å²	113	58.4 Å²	58.4	44%	0.443	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.8	177.5	73.4	-94.6	0	0	0	115.1	T22 G24 R63 Y92	T22-Y45 VanDerWaalsContact C-CB 3.48Å; T22-Y45 VanDerWaalsContact O-CB 3.29Å; T22-Y45 WeakPolarHBondContact O-CB 3.44Å; G24-Y45 PolarHBondContact O-N 2.99Å; Y45-R63 VanDerWaalsContact CA-NH1 3.26Å; Y45-R63 PolarHBondContact O-NH1 2.04Å; Y45-R63 PolarHBondContact O-NH2 2.9Å; Y45-Y92 AromaticContact CD1-CE2 3.86Å; Y45-Y92 HydrophobicContact CD1-CE2 3.86Å; Y45-Y92 AromaticContact CE1-CE2 3.45Å; Y45-Y92 HydrophobicContact CE1-CE2 3.45Å; Y45-Y92 VanDerWaalsContact CE1-CE2 3.45Å; Y45-Y92 AromaticContact CE1-CZ 3.61Å; Y45-Y92 WeakPolarHBondContact CE1-OH 3.34Å
46	S	91.8	Very high	93.7	Very high	68 Å²	68	59.2 Å²	59.2	48%	0.476	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.1	173.1	64.4	0	0	0	0	113.1	N44 S48	N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 3.3Å; N44-S46 PolarHBondContact O-N 3.3Å; N44-S46 VanDerWaalsContact O-N 3.16Å; N44-S46 WeakPolarHBondContact OD1-CA 3.43Å; N44-S46 PolarHBondContact OD1-N 3.03Å; N44-S46 PolarHBondContact OD1-OG 3.39Å; S46-S48 PolarHBondContact OG-OG 2.97Å
47	G	92.8	Very high	93.8	Very high	30 Å²	30	57.8 Å²	57.8	31%	0.309	33%	0.325	S	S	.	.	S	Bend	trans	87.1	6	-177.8	0	0	0	0	0	113.5	N44 R63	N44-G47 PolarHBondContact O-N 3.1Å; N44-G47 PolarHBondContact OD1-N 2.87Å; G47-R63 VanDerWaalsContact N-CZ 3.33Å
48	S	94.4	Very high	94	Very high	65 Å²	65	54.9 Å²	54.9	46%	0.455	31%	0.307	S	S	.	.			trans	-72.6	134.9	173	-54.3	0	0	0	0	109.9	N44 S46	N44-S48 PolarHBondContact N-O 2.92Å; N44-S48 WeakPolarHBondContact OD1-CA 3.28Å; N44-S48 WeakPolarHBondContact OD1-CB 3.31Å; N44-S48 PolarHBondContact OD1-N 3Å; N44-S48 PolarHBondContact OD1-O 2.91Å; S46-S48 PolarHBondContact OG-OG 2.97Å
49	T	95.9	Very high	94	Very high	56 Å²	56	53.5 Å²	53.5	34%	0.344	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.6	-178.5	54.8	0	0	0	0	112	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.23Å; Y42-T49 WeakPolarHBondContact O-CA 3.49Å; I43-T49 HydrophobicContact CB-CG2 3.99Å; I43-T49 HydrophobicContact CD1-CG2 3.96Å; I43-T49 HydrophobicContact CG1-CG2 3.86Å; T49-Y51 PolarHBondContact OG1-OH 3.32Å; T49-I61 HydrophobicContact CG2-CB 4.41Å
50	S	95.2	Very high	94.1	Very high	45 Å²	45	52 Å²	52	32%	0.315	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.9	165.5	-170.9	0	0	0	0	108.5	G41 Y42	G41-S50 CarbonylContact C-O 3.57Å; G41-S50 WeakPolarHBondContact CA-O 3.34Å; Y42-S50 VanDerWaalsContact CZ-CB 3.43Å; Y42-S50 PolarHBondContact N-O 3.46Å; Y42-S50 PolarHBondContact O-N 2.97Å; Y42-S50 VanDerWaalsContact O-N 3.12Å
51	Y	95.9	Very high	94.2	Very high	50 Å²	50	52.2 Å²	52.2	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.8	-173.5	-54.8	-65.2	0	0	0	110.5	W39 T49 P53 K56 I59 I61	W39-Y51 VanDerWaalsContact CZ3-C 3.48Å; T49-Y51 PolarHBondContact OG1-OH 3.32Å; Y51-P53 WeakPolarHBondContact O-CD 3.49Å; Y51-K56 HydrophobicContact CD2-CG 4.08Å; Y51-K56 HydrophobicContact CG-CG 4.49Å; Y51-I59 HydrophobicContact CD1-CB 4.49Å; Y51-I59 HydrophobicContact CD1-CG2 3.73Å; Y51-I59 HydrophobicContact CE1-CG2 3.88Å; Y51-I61 HydrophobicContact CD1-CD1 4.13Å; Y51-I61 HydrophobicContact CD1-CG1 4.48Å; Y51-I61 HydrophobicContact CE1-CB 4.16Å; Y51-I61 HydrophobicContact CE1-CD1 4Å; Y51-I61 HydrophobicContact CE1-CG1 3.95Å
52	N	94.9	Very high	94.3	Very high	26 Å²	26	55.5 Å²	55.5	14%	0.139	32%	0.323	C	S	.	.			trans	-61.3	125.4	164.9	-176	-32.9	0	0	0	109.3	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 4.04Å; W39-N52 HydrophobicContact CZ3-CB 4.18Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.28Å; W39-N52 WeakPolarHBondContact O-CB 3.4Å; W39-N52 PolarHBondContact O-ND2 2.76Å; M40-N52 PolarHBondContact O-N 3Å; N52-S54 PolarHBondContact O-N 2.84Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 WeakPolarHBondContact OD1-CB 3.46Å; N52-S54 PolarHBondContact OD1-N 2.92Å; N52-L55 HydrophobicContact CB-CB 4.48Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 PolarHBondContact O-N 2.9Å; N52-K56 PolarHBondContact O-N 3.22Å
53	P	94.5	Very high	94.3	Very high	109 Å²	109	56 Å²	56	71%	0.708	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-36.3	-179.4	-29	35.8	0	0	0	114	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-L55 PolarHBondContact O-N 2.98Å
54	S	91.7	Very high	94.3	Very high	92 Å²	92	57.6 Å²	57.6	64%	0.643	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.9	180	-60.3	0	0	0	0	113.9	N52	N52-S54 PolarHBondContact O-N 2.84Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 WeakPolarHBondContact OD1-CB 3.46Å; N52-S54 PolarHBondContact OD1-N 2.92Å
55	L	93.1	Very high	94.3	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.026	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-6.7	-175.3	-57.5	171.6	0	0	0	113	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.28Å; M40-L55 HydrophobicContact CE-CD1 4.29Å; M40-L55 HydrophobicContact CG-CD1 4.05Å; N52-L55 HydrophobicContact CB-CB 4.48Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 PolarHBondContact O-N 2.9Å; P53-L55 PolarHBondContact O-N 2.98Å; L55-S57 PolarHBondContact O-N 3.16Å; L55-R58 VanDerWaalsContact CD2-NH2 3.33Å; L55-R58 PolarHBondContact O-N 3Å; L55-I59 HydrophobicContact CB-CD1 3.34Å; L55-I59 HydrophobicContact CB-CG1 3.87Å; L55-I59 HydrophobicContact CD1-CD1 3.67Å; L55-I59 HydrophobicContact CG-CD1 4.06Å; L55-I59 PolarHBondContact O-N 2.85Å
56	K	92.6	Very high	94.5	Very high	140 Å²	140	60.2 Å²	60.2	61%	0.609	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.3	-171.6	-174.6	173.1	-178	179.7	0	114.7	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.08Å; Y51-K56 HydrophobicContact CG-CG 4.49Å; N52-K56 PolarHBondContact O-N 3.22Å
57	S	94.1	Very high	94.6	Very high	116 Å²	116	63.2 Å²	63.2	81%	0.811	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-15	178.6	58.6	0	0	0	0	114	L55	L55-S57 PolarHBondContact O-N 3.16Å
58	R	94.8	Very high	94.7	Very high	44 Å²	44	63.4 Å²	63.4	17%	0.166	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-20.5	-173.1	-59.7	-166.7	-59.6	125.6	-1.8	113.3	L55 L74 N75 S76 D81	L55-R58 VanDerWaalsContact CD2-NH2 3.33Å; L55-R58 PolarHBondContact O-N 3Å; R58-L74 HydrophobicContact CB-CD1 3.95Å; R58-N75 WeakPolarHBondContact CB-O 3.34Å; R58-N75 PolarHBondContact NH1-O 2.88Å; R58-N75 PolarHBondContact O-N 2.84Å; R58-S76 PolarHBondContact NH1-O 2.91Å; R58-D81 IonicContact CZ-OD1 2.71Å; R58-D81 IonicContact CZ-OD2 2.75Å; R58-D81 IonicContact NH1-OD1 3.39Å; R58-D81 IonicContact NH1-OD2 3.28Å; R58-D81 PolarHBondContact NH1-OD2 3.05Å; R58-D81 IonicContact NH2-OD1 2.57Å; R58-D81 PolarHBondContact NH2-OD1 2.86Å; R58-D81 IonicContact NH2-OD2 3.76Å; R58-D81 PolarHBondContact NH2-OD2 2.87Å
59	I	95.3	Very high	94.7	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.056	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141	-176.3	-72	-177	0	0	0	112.2	M40 Y51 L55 I61 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 3.85Å; M40-I59 HydrophobicContact CE-CD1 3.41Å; M40-I59 VanDerWaalsContact CE-CD1 3.41Å; M40-I59 HydrophobicContact CE-CG1 4.26Å; M40-I59 HydrophobicContact CG-CD1 4.46Å; Y51-I59 HydrophobicContact CD1-CB 4.49Å; Y51-I59 HydrophobicContact CD1-CG2 3.73Å; Y51-I59 HydrophobicContact CE1-CG2 3.88Å; L55-I59 HydrophobicContact CB-CD1 3.34Å; L55-I59 HydrophobicContact CB-CG1 3.87Å; L55-I59 HydrophobicContact CD1-CD1 3.67Å; L55-I59 HydrophobicContact CG-CD1 4.06Å; L55-I59 PolarHBondContact O-N 2.85Å; I59-I61 HydrophobicContact CG2-CD1 4.31Å; I59-I61 HydrophobicContact CG2-CG1 3.92Å; I59-L72 HydrophobicContact CB-CD1 4.49Å; I59-L72 HydrophobicContact CD1-CD1 4.33Å; I59-L72 HydrophobicContact CG1-CD1 4.31Å; I59-L72 HydrophobicContact CG2-CD1 3.58Å; I59-Q73 CarbonylContact C-O 3.54Å; I59-Q73 WeakPolarHBondContact CA-O 3.35Å; I59-L74 HydrophobicContact CD1-CD1 4.34Å; I59-L74 HydrophobicContact CG1-CD1 3.58Å
60	S	96.5	Very high	94.6	Very high	42 Å²	42	59.6 Å²	59.6	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134	161.6	-176.3	0	0	0	0	109.5	Q73	S60-Q73 PolarHBondContact N-O 3.44Å; S60-Q73 PolarHBondContact O-N 2.93Å
61	I	96.8	Very high	94.7	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.2	174.5	-60.2	169.2	0	0	0	108.1	G41 I43 T49 Y51 I59 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.44Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.7Å; T49-I61 HydrophobicContact CG2-CB 4.41Å; Y51-I61 HydrophobicContact CD1-CD1 4.13Å; Y51-I61 HydrophobicContact CD1-CG1 4.48Å; Y51-I61 HydrophobicContact CE1-CB 4.16Å; Y51-I61 HydrophobicContact CE1-CD1 4Å; Y51-I61 HydrophobicContact CE1-CG1 3.95Å; I59-I61 HydrophobicContact CG2-CD1 4.31Å; I59-I61 HydrophobicContact CG2-CG1 3.92Å; I61-F71 VanDerWaalsContact CA-O 3.3Å; I61-F71 WeakPolarHBondContact CA-O 3.39Å; I61-F71 WeakPolarHBondContact CG2-O 3.33Å; I61-L72 HydrophobicContact CG1-CD1 3.95Å
62	T	96.4	Very high	94.7	Very high	70 Å²	70	57.6 Å²	57.6	43%	0.429	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	171.6	-179.7	64.8	0	0	0	0	110.8	F70 F71	T62-F70 CarbonylContact O-C 3.59Å; T62-F70 WeakPolarHBondContact O-CA 3.25Å; T62-F70 WeakPolarHBondContact O-CB 3.45Å; T62-F71 PolarHBondContact N-O 2.87Å; T62-F71 PolarHBondContact O-N 3.05Å
63	R	95.2	Very high	94.8	Very high	70 Å²	70	60.1 Å²	60.1	26%	0.264	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.7	178.8	67.2	-179	-177.9	162.2	3.7	112.8	I21 I43 N44 Y45 G47 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.94Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.74Å; N44-R63 PolarHBondContact O-NH1 3Å; Y45-R63 VanDerWaalsContact CA-NH1 3.26Å; Y45-R63 PolarHBondContact O-NH1 2.04Å; Y45-R63 PolarHBondContact O-NH2 2.9Å; G47-R63 VanDerWaalsContact N-CZ 3.33Å; R63-Q69 WeakPolarHBondContact CA-O 3.47Å; R63-F70 HydrophobicContact CB-CB 4.05Å
64	D	95.1	Very high	94.8	Very high	41 Å²	41	54.9 Å²	54.9	22%	0.219	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	101.2	170	-175.9	-13.7	0	0	0	108.5	I21 S66 K67 N68 Q69 F71	I21-D64 WeakPolarHBondContact CD1-O 3.49Å; D64-S66 PolarHBondContact O-N 3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.08Å; D64-S66 PolarHBondContact OD1-N 2.89Å; D64-S66 PolarHBondContact OD1-OG 3.06Å; D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 3.34Å; D64-K67 PolarHBondContact OD1-N 3.46Å; D64-K67 WeakPolarHBondContact OD2-CD 3.36Å; D64-K67 VanDerWaalsContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CE 3.49Å; D64-K67 WeakPolarHBondContact OD2-CG 2.92Å; D64-K67 IonicContact OD2-NZ 3.5Å; D64-N68 PolarHBondContact O-N 2.94Å; D64-N68 VanDerWaalsContact O-N 3.09Å; D64-Q69 PolarHBondContact N-O 2.73Å; D64-Q69 PolarHBondContact O-N 3.39Å; D64-Q69 VanDerWaalsContact O-N 3.07Å; D64-F71 HydrophobicContact CB-CE2 3.76Å; D64-F71 HydrophobicContact CB-CZ 4.24Å
65	T	93.8	Very high	94.9	Very high	77 Å²	77	53 Å²	53	47%	0.472	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.6	-178.9	56.5	0	0	0	0	112.5	I21 T22 K67	I21-T65 HydrophobicContact CD1-CG2 4.11Å; I21-T65 HydrophobicContact CG1-CG2 4.22Å; T22-T65 HydrophobicContact CG2-CG2 3.69Å; T65-K67 VanDerWaalsContact C-N 3.3Å
66	S	93.8	Very high	94.8	Very high	103 Å²	103	55.9 Å²	55.9	72%	0.72	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-27.9	176.6	75.1	0	0	0	0	112.2	D64	D64-S66 PolarHBondContact O-N 3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.08Å; D64-S66 PolarHBondContact OD1-N 2.89Å; D64-S66 PolarHBondContact OD1-OG 3.06Å
67	K	94.4	Very high	94.7	Very high	130 Å²	130	51.1 Å²	51.1	57%	0.565	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-1.3	179.3	-62.6	-178.1	-170.1	163.1	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 3.34Å; D64-K67 PolarHBondContact OD1-N 3.46Å; D64-K67 WeakPolarHBondContact OD2-CD 3.36Å; D64-K67 VanDerWaalsContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CE 3.49Å; D64-K67 WeakPolarHBondContact OD2-CG 2.92Å; D64-K67 IonicContact OD2-NZ 3.5Å; T65-K67 VanDerWaalsContact C-N 3.3Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.15Å; K67-Q69 PolarHBondContact O-N 3.27Å
68	N	93.4	Very high	94.5	Very high	34 Å²	34	49.3 Å²	49.3	18%	0.182	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	41.8	-173.8	-157.3	36.7	0	0	0	112.8	V16 D19 S20 I21 D64	V16-N68 PolarHBondContact N-O 2.82Å; V16-N68 PolarHBondContact O-ND2 2.72Å; D19-N68 PolarHBondContact O-ND2 3.26Å; S20-N68 WeakPolarHBondContact CA-OD1 3.41Å; I21-N68 PolarHBondContact N-OD1 2.57Å; D64-N68 PolarHBondContact O-N 2.94Å; D64-N68 VanDerWaalsContact O-N 3.09Å
69	Q	94.9	Very high	94.1	Very high	41 Å²	41	52.1 Å²	52.1	19%	0.192	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.7	-175.7	-78.8	170.6	-12.5	0	0	112.1	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.41Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; C14-Q69 VanDerWaalsContact O-CA 3.31Å; C14-Q69 WeakPolarHBondContact O-CA 3.25Å; S15-Q69 WeakPolarHBondContact OG-CG 3.43Å; S15-Q69 PolarHBondContact OG-NE2 3.39Å; I21-Q69 WeakPolarHBondContact CD1-O 3.36Å; R63-Q69 WeakPolarHBondContact CA-O 3.47Å; D64-Q69 PolarHBondContact N-O 2.73Å; D64-Q69 PolarHBondContact O-N 3.39Å; D64-Q69 VanDerWaalsContact O-N 3.07Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.15Å; K67-Q69 PolarHBondContact O-N 3.27Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
70	F	94.8	Very high	93.8	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.4	166.5	70	-78.7	0	0	0	110.9	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 4Å; C14-F70 HydrophobicContact CB-CE1 3.57Å; C14-F70 HydrophobicContact CB-CE2 4.25Å; C14-F70 HydrophobicContact CB-CZ 3.74Å; C14-F70 PolarHBondContact N-O 2.78Å; C14-F70 PolarHBondContact O-N 3.34Å; C14-F70 VanDerWaalsContact SG-CE1 3.55Å; V16-F70 HydrophobicContact CG2-CD1 4.24Å; V16-F70 HydrophobicContact CG2-CE1 3.95Å; I21-F70 HydrophobicContact CG2-CD1 4.12Å; W26-F70 HydrophobicContact CB-CD1 4.16Å; W26-F70 HydrophobicContact CB-CD2 4.17Å; W26-F70 HydrophobicContact CB-CE1 3.93Å; W26-F70 HydrophobicContact CB-CE2 3.95Å; W26-F70 HydrophobicContact CB-CG 4.25Å; W26-F70 HydrophobicContact CB-CZ 3.79Å; W26-F70 HydrophobicContact CD2-CD1 4.49Å; W26-F70 HydrophobicContact CD2-CE1 4.01Å; W26-F70 HydrophobicContact CD2-CZ 4.48Å; W26-F70 HydrophobicContact CE3-CD1 4.38Å; W26-F70 AromaticContact CE3-CE1 3.52Å; W26-F70 HydrophobicContact CE3-CE1 3.52Å; W26-F70 AromaticContact CE3-CZ 3.93Å; W26-F70 HydrophobicContact CE3-CZ 3.93Å; W26-F70 HydrophobicContact CG-CD1 4.41Å; W26-F70 HydrophobicContact CG-CE1 4.2Å; W26-F70 HydrophobicContact CG-CZ 4.47Å; W26-F70 HydrophobicContact CZ3-CE1 4.34Å; W28-F70 AromaticContact CD1-CD2 3.94Å; W28-F70 AromaticContact CD1-CE2 3.73Å; W28-F70 HydrophobicContact CD2-CE2 4.27Å; W28-F70 AromaticContact CE2-CD2 3.87Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.33Å; W28-F70 HydrophobicContact CZ2-CD2 4.26Å; W28-F70 HydrophobicContact CZ2-CE2 4.12Å; W28-F70 AromaticContact NE1-CD2 3.22Å; W28-F70 AromaticContact NE1-CE2 3.26Å; W28-F70 VanDerWaalsContact NE1-CE2 3.26Å; I43-F70 HydrophobicContact CG2-CB 4.26Å; I43-F70 HydrophobicContact CG2-CD2 4.39Å; T62-F70 CarbonylContact O-C 3.59Å; T62-F70 WeakPolarHBondContact O-CA 3.25Å; T62-F70 WeakPolarHBondContact O-CB 3.45Å; R63-F70 HydrophobicContact CB-CB 4.05Å; F70-C87 HydrophobicContact CE1-CB 4.06Å; F70-C87 HydrophobicContact CE2-CB 4.11Å; F70-C87 HydrophobicContact CZ-CB 3.33Å
71	F	96.2	Very high	93.4	Very high	50 Å²	50	55.7 Å²	55.7	22%	0.219	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.2	-163.7	-49.7	-89.1	0	0	0	110.4	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.57Å; L12-F71 VanDerWaalsContact O-CA 3.24Å; L12-F71 WeakPolarHBondContact O-CA 3.17Å; T13-F71 HydrophobicContact CG2-CD1 3.84Å; T13-F71 HydrophobicContact CG2-CE1 3.5Å; T13-F71 HydrophobicContact CG2-CZ 4.41Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.38Å; I61-F71 VanDerWaalsContact CA-O 3.3Å; I61-F71 WeakPolarHBondContact CA-O 3.39Å; I61-F71 WeakPolarHBondContact CG2-O 3.33Å; T62-F71 PolarHBondContact N-O 2.87Å; T62-F71 PolarHBondContact O-N 3.05Å; D64-F71 HydrophobicContact CB-CE2 3.76Å; D64-F71 HydrophobicContact CB-CZ 4.24Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
72	L	96.6	Very high	93.1	Very high	2 Å²	2	60 Å²	60	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	170.2	169.1	68.6	0	0	0	108.3	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.48Å; L12-L72 HydrophobicContact CB-CB 4.29Å; L12-L72 HydrophobicContact CD1-CD2 3.93Å; L12-L72 PolarHBondContact N-O 2.86Å; L12-L72 PolarHBondContact O-N 2.88Å; W28-L72 HydrophobicContact CB-CD2 4.1Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.83Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 VanDerWaalsContact CE2-CB 3.4Å; W28-L72 HydrophobicContact CE3-CB 4.29Å; W28-L72 HydrophobicContact CE3-CD2 3.94Å; W28-L72 HydrophobicContact CG-CB 3.87Å; W28-L72 HydrophobicContact CG-CD1 4.47Å; W28-L72 HydrophobicContact CG-CD2 3.91Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CH2-CB 4.48Å; W28-L72 HydrophobicContact CZ2-CB 3.87Å; M40-L72 HydrophobicContact CE-CD1 4.29Å; M40-L72 HydrophobicContact CE-CD2 3.64Å; M40-L72 HydrophobicContact SD-CD2 3.73Å; I59-L72 HydrophobicContact CB-CD1 4.49Å; I59-L72 HydrophobicContact CD1-CD1 4.33Å; I59-L72 HydrophobicContact CG1-CD1 4.31Å; I59-L72 HydrophobicContact CG2-CD1 3.58Å; I61-L72 HydrophobicContact CG1-CD1 3.95Å; L72-Y85 HydrophobicContact CD2-CD1 4.08Å; L72-Y85 HydrophobicContact CD2-CE1 4.4Å
73	Q	95.9	Very high	92.8	Very high	79 Å²	79	57.8 Å²	57.8	37%	0.369	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.8	168.5	-174.5	179.2	-8.3	0	0	108.7	T9 L10 I59 S60 N75	T9-Q73 HydrophobicContact CG2-CG 3.6Å; L10-Q73 CarbonylContact O-C 3.57Å; L10-Q73 WeakPolarHBondContact O-CA 3.4Å; I59-Q73 CarbonylContact C-O 3.54Å; I59-Q73 WeakPolarHBondContact CA-O 3.35Å; S60-Q73 PolarHBondContact N-O 3.44Å; S60-Q73 PolarHBondContact O-N 2.93Å; Q73-N75 PolarHBondContact NE2-OD1 2.92Å
74	L	94.8	Very high	92.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.6	173.9	178.6	66.2	0	0	0	108.9	T9 L10 M40 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.36Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 PolarHBondContact N-O 2.77Å; L10-L74 PolarHBondContact O-N 2.81Å; M40-L74 HydrophobicContact CE-CD2 4.44Å; R58-L74 HydrophobicContact CB-CD1 3.95Å; I59-L74 HydrophobicContact CD1-CD1 4.34Å; I59-L74 HydrophobicContact CG1-CD1 3.58Å; L74-V77 HydrophobicContact CD2-CG2 4.28Å; L74-V77 HydrophobicContact CG-CG2 4.18Å; L74-V77 WeakPolarHBondContact O-CG2 3.34Å; L74-D81 HydrophobicContact CD2-CB 3.94Å
75	N	93.9	Very high	92.6	Very high	53 Å²	53	56.2 Å²	56.2	28%	0.283	32%	0.317	S	S	.	.			trans	-90.5	156	178.7	-61.4	-52.7	0	0	0	111.3	T9 R58 Q73 V77	T9-N75 VanDerWaalsContact CG2-OD1 3.29Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T9-N75 PolarHBondContact OG1-OD1 2.9Å; R58-N75 WeakPolarHBondContact CB-O 3.34Å; R58-N75 PolarHBondContact NH1-O 2.88Å; R58-N75 PolarHBondContact O-N 2.84Å; Q73-N75 PolarHBondContact NE2-OD1 2.92Å; N75-V77 PolarHBondContact O-N 2.82Å
76	S	90.9	Very high	92.6	Very high	64 Å²	64	54.3 Å²	54.3	45%	0.448	30%	0.301	S	S	.	.	S	Bend	trans	53.1	53.8	178.2	-56.8	0	0	0	0	111.5	Q8 R58 I78	Q8-S76 PolarHBondContact O-N 3.3Å; R58-S76 PolarHBondContact NH1-O 2.91Å; S76-I78 PolarHBondContact O-N 2.84Å
77	V	90.4	Very high	92.6	Very high	40 Å²	40	49.5 Å²	49.5	24%	0.242	27%	0.267	C	S	.	.			trans	-63.3	127	-178.9	179.4	0	0	0	0	109.7	Q8 L10 L74 N75 D81	Q8-V77 HydrophobicContact CB-CB 4.38Å; Q8-V77 WeakPolarHBondContact O-CG2 3.03Å; Q8-V77 PolarHBondContact O-N 2.8Å; L10-V77 HydrophobicContact CB-CG2 3.73Å; L74-V77 HydrophobicContact CD2-CG2 4.28Å; L74-V77 HydrophobicContact CG-CG2 4.18Å; L74-V77 WeakPolarHBondContact O-CG2 3.34Å; N75-V77 PolarHBondContact O-N 2.82Å; V77-D81 WeakPolarHBondContact CA-OD2 3.13Å; V77-D81 HydrophobicContact CG1-CB 4.06Å
78	I	89.9	Confident	92.4	Very high	78 Å²	78	43.5 Å²	43.5	40%	0.4	24%	0.242	S	C	.	.			trans	-110.8	163.2	177.2	59.5	176.5	0	0	0	110.6	S76 E80 D81	S76-I78 PolarHBondContact O-N 2.84Å; I78-E80 WeakPolarHBondContact CB-OE2 2.88Å; I78-E80 HydrophobicContact CD1-CB 4.01Å; I78-E80 HydrophobicContact CD1-CG 4.38Å; I78-E80 VanDerWaalsContact CD1-OE2 3.22Å; I78-E80 WeakPolarHBondContact CD1-OE2 3.46Å; I78-E80 HydrophobicContact CG1-CB 4.1Å; I78-E80 VanDerWaalsContact CG1-OE2 3.25Å; I78-E80 WeakPolarHBondContact CG1-OE2 3.31Å; I78-E80 PolarHBondContact O-N 3.01Å; I78-D81 VanDerWaalsContact CG1-OD2 3.31Å; I78-D81 WeakPolarHBondContact CG1-OD2 3.39Å; I78-D81 PolarHBondContact N-OD2 3.07Å; I78-D81 WeakPolarHBondContact O-CB 3.24Å; I78-D81 PolarHBondContact O-N 2.96Å
79	P	88.1	Confident	92.2	Very high	103 Å²	103	42.1 Å²	42.1	67%	0.669	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-54.9	-33.5	178.9	-27.7	36.9	0	0	0	113.8	D81 T82	P79-D81 PolarHBondContact O-N 3.12Å; P79-T82 VanDerWaalsContact O-CB 3.25Å; P79-T82 WeakPolarHBondContact O-CB 3.42Å; P79-T82 PolarHBondContact O-N 3.17Å; P79-T82 PolarHBondContact O-OG1 3.31Å
80	E	88	Confident	91.6	Very high	124 Å²	124	41.6 Å²	41.6	58%	0.579	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-63.7	-19.8	176	-62.1	73.3	-165.3	0	0	112	F32 I78 T82	F32-E80 VanDerWaalsContact CE1-O 3.27Å; F32-E80 WeakPolarHBondContact CE1-O 3.5Å; I78-E80 WeakPolarHBondContact CB-OE2 2.88Å; I78-E80 HydrophobicContact CD1-CB 4.01Å; I78-E80 HydrophobicContact CD1-CG 4.38Å; I78-E80 VanDerWaalsContact CD1-OE2 3.22Å; I78-E80 WeakPolarHBondContact CD1-OE2 3.46Å; I78-E80 HydrophobicContact CG1-CB 4.1Å; I78-E80 VanDerWaalsContact CG1-OE2 3.25Å; I78-E80 WeakPolarHBondContact CG1-OE2 3.31Å; I78-E80 PolarHBondContact O-N 3.01Å; E80-T82 PolarHBondContact O-N 3Å
81	D	88.6	Confident	90.4	Very high	4 Å²	4	47 Å²	47	2%	0.021	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-78.9	0.2	175.4	-62.2	-48.8	0	0	0	113.5	R30 R58 L74 V77 I78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.51Å; R30-D81 IonicContact NH1-OD1 3.14Å; R30-D81 PolarHBondContact NH1-OD1 2.88Å; R30-D81 IonicContact NH2-OD1 2.63Å; R58-D81 IonicContact CZ-OD1 2.71Å; R58-D81 IonicContact CZ-OD2 2.75Å; R58-D81 IonicContact NH1-OD1 3.39Å; R58-D81 IonicContact NH1-OD2 3.28Å; R58-D81 PolarHBondContact NH1-OD2 3.05Å; R58-D81 IonicContact NH2-OD1 2.57Å; R58-D81 PolarHBondContact NH2-OD1 2.86Å; R58-D81 IonicContact NH2-OD2 3.76Å; R58-D81 PolarHBondContact NH2-OD2 2.87Å; L74-D81 HydrophobicContact CD2-CB 3.94Å; V77-D81 WeakPolarHBondContact CA-OD2 3.13Å; V77-D81 HydrophobicContact CG1-CB 4.06Å; I78-D81 VanDerWaalsContact CG1-OD2 3.31Å; I78-D81 WeakPolarHBondContact CG1-OD2 3.39Å; I78-D81 PolarHBondContact N-OD2 3.07Å; I78-D81 WeakPolarHBondContact O-CB 3.24Å; I78-D81 PolarHBondContact O-N 2.96Å; P79-D81 PolarHBondContact O-N 3.12Å; D81-G83 PolarHBondContact O-N 2.79Å; D81-Y85 PolarHBondContact O-OH 2.95Å
82	T	89.2	Confident	88.6	Confident	95 Å²	95	50.5 Å²	50.5	58%	0.583	27%	0.267	S	S	*	.			trans	-67.6	124.8	179.1	-54.8	0	0	0	0	110.9	P79 E80	P79-T82 VanDerWaalsContact O-CB 3.25Å; P79-T82 WeakPolarHBondContact O-CB 3.42Å; P79-T82 PolarHBondContact O-N 3.17Å; P79-T82 PolarHBondContact O-OG1 3.31Å; E80-T82 PolarHBondContact O-N 3Å
83	G	91.3	Very high	86.7	Confident	25 Å²	25	54.7 Å²	54.7	26%	0.258	31%	0.31	S	S	.	.	S	Bend	trans	177.5	179.2	178.6	0	0	0	0	0	111.8	Q31 D81 Y85	Q31-G83 CarbonylContact O-C 3.5Å; Q31-G83 WeakPolarHBondContact O-CA 3.48Å; D81-G83 PolarHBondContact O-N 2.79Å; G83-Y85 WeakPolarHBondContact O-CD2 3.48Å; G83-Y85 WeakPolarHBondContact O-CE2 3.4Å
84	T	92.7	Very high	84.9	Confident	57 Å²	57	53.1 Å²	53.1	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135	171.1	-52.3	0	0	0	0	109.3	R30 Q31 Y86 Q102	R30-T84 CarbonylContact C-O 3.53Å; R30-T84 WeakPolarHBondContact CA-O 3.3Å; Q31-T84 PolarHBondContact N-O 2.6Å; Q31-T84 PolarHBondContact O-N 2.75Å; T84-Y86 HydrophobicContact CG2-CD1 4.31Å; T84-Y86 HydrophobicContact CG2-CD2 4.45Å; T84-Y86 HydrophobicContact CG2-CE1 3.68Å; T84-Y86 HydrophobicContact CG2-CE2 3.77Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.23Å; T84-Q102 HydrophobicContact CG2-CG 4.06Å
85	Y	93.9	Very high	83.3	Confident	21 Å²	21	58 Å²	58	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.2	-177.3	-67.4	-97.1	0	0	0	110.3	L10 L12 R30 M40 L72 D81 G83 Q102 G103	L10-Y85 HydrophobicContact CD2-CD2 4.36Å; L10-Y85 HydrophobicContact CD2-CE1 4.3Å; L10-Y85 HydrophobicContact CD2-CE2 3.75Å; L12-Y85 HydrophobicContact CD1-CD1 3.55Å; L12-Y85 HydrophobicContact CD1-CD2 3.92Å; L12-Y85 HydrophobicContact CD1-CE1 4.19Å; L12-Y85 HydrophobicContact CD1-CG 3.38Å; R30-Y85 HydrophobicContact CB-CD1 4.24Å; R30-Y85 HydrophobicContact CB-CE1 4.14Å; R30-Y85 HydrophobicContact CG-CD1 4.5Å; R30-Y85 HydrophobicContact CG-CE1 4.16Å; M40-Y85 HydrophobicContact CE-CD1 4.32Å; M40-Y85 HydrophobicContact CE-CE1 3.74Å; M40-Y85 HydrophobicContact SD-CD1 3.62Å; M40-Y85 HydrophobicContact SD-CE1 3.54Å; M40-Y85 VanDerWaalsContact SD-CE1 3.54Å; L72-Y85 HydrophobicContact CD2-CD1 4.08Å; L72-Y85 HydrophobicContact CD2-CE1 4.4Å; D81-Y85 PolarHBondContact O-OH 2.95Å; G83-Y85 WeakPolarHBondContact O-CD2 3.48Å; G83-Y85 WeakPolarHBondContact O-CE2 3.4Å; Y85-Q102 WeakPolarHBondContact O-CA 3.22Å; Y85-G103 PolarHBondContact O-N 3.38Å
86	Y	93.2	Very high	81.7	Confident	37 Å²	37	63.6 Å²	63.6	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.3	-175.5	-59.7	-70.7	0	0	0	110.9	W28 I29 Q31 T84 Y99 G101 Q102	W28-Y86 WeakPolarHBondContact CA-O 3.29Å; I29-Y86 PolarHBondContact N-O 2.99Å; I29-Y86 PolarHBondContact O-N 2.84Å; Q31-Y86 HydrophobicContact CB-CD2 4.09Å; Q31-Y86 HydrophobicContact CB-CE2 3.51Å; Q31-Y86 HydrophobicContact CG-CE2 4.32Å; Q31-Y86 VanDerWaalsContact OE1-CE2 3.26Å; Q31-Y86 PolarHBondContact OE1-OH 3.15Å; T84-Y86 HydrophobicContact CG2-CD1 4.31Å; T84-Y86 HydrophobicContact CG2-CD2 4.45Å; T84-Y86 HydrophobicContact CG2-CE1 3.68Å; T84-Y86 HydrophobicContact CG2-CE2 3.77Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.23Å; Y86-Y99 HydrophobicContact CD1-CD2 4.42Å; Y86-Y99 AromaticContact CD1-CE2 3.32Å; Y86-Y99 HydrophobicContact CD1-CE2 3.32Å; Y86-Y99 AromaticContact CD1-CZ 3.91Å; Y86-Y99 AromaticContact CE1-CE2 3.74Å; Y86-Y99 HydrophobicContact CE1-CE2 3.74Å; Y86-Y99 AromaticContact CG-CE2 3.99Å; Y86-Y99 HydrophobicContact CG-CE2 3.99Å; Y86-G101 WeakPolarHBondContact CA-O 3.31Å; Y86-Q102 HydrophobicContact CD1-CB 4.43Å; Y86-Q102 HydrophobicContact CD1-CG 3.46Å; Y86-Q102 VanDerWaalsContact CD1-CG 3.46Å; Y86-Q102 HydrophobicContact CE1-CG 3.28Å
87	C	92.5	Very high	80.6	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.007	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.4	162.3	39.2	0	0	0	0	110.8	C14 N27 F70 W100 G101	C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 VanDerWaalsContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.44Å; C14-C87 CovalentContact SG-SG 2.04Å; C14-C87 PolarHBondContact SG-SG 2.77Å; N27-C87 WeakPolarHBondContact O-CA 3.16Å; F70-C87 HydrophobicContact CE1-CB 4.06Å; F70-C87 HydrophobicContact CE2-CB 4.11Å; F70-C87 HydrophobicContact CZ-CB 3.33Å; C87-W100 PolarHBondContact O-N 3.16Å; C87-G101 PolarHBondContact N-O 3.09Å; C87-G101 PolarHBondContact O-N 3.16Å; C87-G101 PolarHBondContact SG-O 3.31Å; C87-G101 VanDerWaalsContact SG-O 3.39Å
88	A	91.4	Very high	79.5	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.033	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.3	178.4	0	0	0	0	0	110.6	N27 I29 F97 D98	N27-A88 HydrophobicContact CB-CB 4.39Å; N27-A88 PolarHBondContact N-O 2.87Å; N27-A88 PolarHBondContact O-N 2.89Å; I29-A88 HydrophobicContact CD1-CB 3.82Å; A88-F97 HydrophobicContact CB-CB 4.05Å; A88-F97 HydrophobicContact CB-CD1 4.37Å; A88-F97 HydrophobicContact CB-CG 4.47Å; A88-D98 CarbonylContact C-O 3.6Å; A88-D98 WeakPolarHBondContact CA-O 3.43Å; A88-D98 WeakPolarHBondContact CB-O 3.29Å
89	R	88.9	Confident	78.5	Confident	5 Å²	5	70.1 Å²	70.1	2%	0.019	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.5	176.7	-168.5	-168.4	-179.4	-173.7	10	110	D19 S23 Y25 W26 Y91 F97 D98 W100	D19-R89 VanDerWaalsContact CG-CZ 3.43Å; D19-R89 VanDerWaalsContact CG-NH2 3.29Å; D19-R89 IonicContact OD1-CZ 2.73Å; D19-R89 VanDerWaalsContact OD1-CZ 3.26Å; D19-R89 IonicContact OD1-NH1 3.68Å; D19-R89 PolarHBondContact OD1-NH1 2.72Å; D19-R89 IonicContact OD1-NH2 3.6Å; D19-R89 PolarHBondContact OD1-NH2 3.1Å; D19-R89 IonicContact OD2-CZ 3.27Å; D19-R89 VanDerWaalsContact OD2-CZ 3.28Å; D19-R89 IonicContact OD2-NH1 2.87Å; D19-R89 PolarHBondContact OD2-NH1 3.34Å; D19-R89 IonicContact OD2-NH2 3.26Å; D19-R89 PolarHBondContact OD2-NH2 3.32Å; S23-R89 PolarHBondContact OG-NH2 3.07Å; Y25-R89 CarbonylContact O-C 3.44Å; Y25-R89 VanDerWaalsContact O-CA 3.25Å; Y25-R89 WeakPolarHBondContact O-CA 3.47Å; Y25-R89 WeakPolarHBondContact O-CG 3.48Å; W26-R89 HydrophobicContact CD2-CB 4.41Å; W26-R89 HydrophobicContact CD2-CG 4.18Å; W26-R89 HydrophobicContact CE3-CB 4.01Å; W26-R89 HydrophobicContact CE3-CG 4.25Å; W26-R89 HydrophobicContact CH2-CB 4.09Å; W26-R89 HydrophobicContact CH2-CG 4.01Å; W26-R89 HydrophobicContact CZ2-CB 4.45Å; W26-R89 HydrophobicContact CZ2-CG 3.89Å; W26-R89 HydrophobicContact CZ3-CB 3.85Å; W26-R89 HydrophobicContact CZ3-CG 4.18Å; R89-Y91 VanDerWaalsContact NH1-CZ 3.28Å; R89-Y91 PolarHBondContact NH1-OH 3.1Å; R89-Y91 PolarHBondContact NH2-OH 2.72Å; R89-F97 CarbonylContact O-C 3.49Å; R89-F97 WeakPolarHBondContact O-CA 3.46Å; R89-D98 PolarHBondContact N-O 3.04Å; R89-D98 PolarHBondContact O-N 2.72Å; R89-W100 HydrophobicContact CB-CD2 4.5Å; R89-W100 HydrophobicContact CB-CG 4.27Å; R89-W100 HydrophobicContact CB-CZ2 4.45Å
90	D	82.9	Confident	77.7	Confident	30 Å²	30	68.6 Å²	68.6	16%	0.16	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144	171.5	-175.8	19.5	0	0	0	110.4	Y25 S94 F97	Y25-D90 PolarHBondContact N-O 3.3Å; Y25-D90 PolarHBondContact O-N 3.01Å; D90-S94 WeakPolarHBondContact OD1-CB 3.38Å; D90-F97 HydrophobicContact CB-CD1 3.79Å; D90-F97 HydrophobicContact CB-CE1 3.78Å
91	Y	68.1	Low	77.2	Confident	114 Å²	114	63.4 Å²	63.4	45%	0.447	34%	0.336	S	S	.	.			trans	-102.2	139.2	174.4	-77.6	-80.8	0	0	0	109.4	R89 G93 S94	R89-Y91 VanDerWaalsContact NH1-CZ 3.28Å; R89-Y91 PolarHBondContact NH1-OH 3.1Å; R89-Y91 PolarHBondContact NH2-OH 2.72Å; Y91-G93 PolarHBondContact O-N 3.16Å; Y91-S94 WeakPolarHBondContact O-CB 3.34Å; Y91-S94 PolarHBondContact O-N 3.07Å
92	Y	58.9	Low	76.5	Confident	125 Å²	125	68.8 Å²	68.8	49%	0.49	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.8	111.3	178.8	-83.8	-97	0	0	0	112.5	Y25 Y45	Y25-Y92 HydrophobicContact CD2-CD2 4.02Å; Y25-Y92 AromaticContact CD2-CE2 3.85Å; Y25-Y92 HydrophobicContact CD2-CE2 3.85Å; Y25-Y92 AromaticContact CE2-CD1 3.75Å; Y25-Y92 HydrophobicContact CE2-CD1 3.75Å; Y25-Y92 AromaticContact CE2-CD2 3.4Å; Y25-Y92 HydrophobicContact CE2-CD2 3.4Å; Y25-Y92 VanDerWaalsContact CE2-CD2 3.4Å; Y25-Y92 AromaticContact CE2-CE1 3.57Å; Y25-Y92 HydrophobicContact CE2-CE1 3.57Å; Y25-Y92 AromaticContact CE2-CE2 3.13Å; Y25-Y92 HydrophobicContact CE2-CE2 3.13Å; Y25-Y92 AromaticContact CE2-CG 3.67Å; Y25-Y92 HydrophobicContact CE2-CG 3.67Å; Y25-Y92 AromaticContact CE2-CZ 3.22Å; Y25-Y92 AromaticContact CZ-CE1 3.54Å; Y25-Y92 AromaticContact CZ-CE2 3.67Å; Y25-Y92 AromaticContact CZ-CZ 3.23Å; Y25-Y92 VanDerWaalsContact CZ-OH 3.3Å; Y25-Y92 WeakPolarHBondContact OH-CE1 3.27Å; Y25-Y92 PolarHBondContact OH-OH 3.42Å; Y45-Y92 AromaticContact CD1-CE2 3.86Å; Y45-Y92 HydrophobicContact CD1-CE2 3.86Å; Y45-Y92 AromaticContact CE1-CE2 3.45Å; Y45-Y92 HydrophobicContact CE1-CE2 3.45Å; Y45-Y92 VanDerWaalsContact CE1-CE2 3.45Å; Y45-Y92 AromaticContact CE1-CZ 3.61Å; Y45-Y92 WeakPolarHBondContact CE1-OH 3.34Å
93	G	58	Low	75.1	Confident	89 Å²	89	65 Å²	65	92%	0.918	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	2.6	176.9	0	0	0	0	0	115.8	Y91	Y91-G93 PolarHBondContact O-N 3.16Å
94	S	57.8	Low	73.6	Confident	47 Å²	47	68.1 Å²	68.1	33%	0.329	36%	0.355	S	S	.	.			trans	-85.1	141.9	170.5	176.5	0	0	0	0	110.6	D90 Y91 Y96	D90-S94 WeakPolarHBondContact OD1-CB 3.38Å; Y91-S94 WeakPolarHBondContact O-CB 3.34Å; Y91-S94 PolarHBondContact O-N 3.07Å; S94-Y96 VanDerWaalsContact C-N 3.28Å; S94-Y96 PolarHBondContact OG-N 2.8Å; S94-Y96 PolarHBondContact OG-O 2.82Å; S94-Y96 VanDerWaalsContact OG-O 3.12Å
95	S	59.9	Low	71.6	Confident	101 Å²	101	72.8 Å²	72.8	71%	0.706	38%	0.384	S	S	*	.	S	Bend	trans	-91.8	9.3	167.6	58.7	0	0	0	0	112.5
96	Y	60.4	Low	70.5	Confident	172 Å²	172	75.4 Å²	75.4	68%	0.675	40%	0.399	S	S	*	.			trans	-119.6	129.8	-173	-64.1	-82.3	0	0	0	111	S94	S94-Y96 VanDerWaalsContact C-N 3.28Å; S94-Y96 PolarHBondContact OG-N 2.8Å; S94-Y96 PolarHBondContact OG-O 2.82Å; S94-Y96 VanDerWaalsContact OG-O 3.12Å
97	F	67.8	Low	69.3	Low	100 Å²	100	77.4 Å²	77.4	44%	0.439	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-90.6	124.3	170.1	-67.4	-71.1	0	0	0	109.8	N27 I29 A88 R89 D90	N27-F97 HydrophobicContact CB-CD1 4.38Å; N27-F97 HydrophobicContact CB-CE1 4.17Å; N27-F97 VanDerWaalsContact CG-CE1 3.42Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.12Å; N27-F97 WeakPolarHBondContact OD1-CE1 3.33Å; I29-F97 HydrophobicContact CD1-CD2 4.47Å; I29-F97 HydrophobicContact CD1-CG 4.43Å; A88-F97 HydrophobicContact CB-CB 4.05Å; A88-F97 HydrophobicContact CB-CD1 4.37Å; A88-F97 HydrophobicContact CB-CG 4.47Å; R89-F97 CarbonylContact O-C 3.49Å; R89-F97 WeakPolarHBondContact O-CA 3.46Å; D90-F97 HydrophobicContact CB-CD1 3.79Å; D90-F97 HydrophobicContact CB-CE1 3.78Å
98	D	68.6	Low	68	Low	78 Å²	78	81.7 Å²	81.7	42%	0.417	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.6	164.9	-69.1	-32.9	0	0	0	108.4	A88 R89	A88-D98 CarbonylContact C-O 3.6Å; A88-D98 WeakPolarHBondContact CA-O 3.43Å; A88-D98 WeakPolarHBondContact CB-O 3.29Å; R89-D98 PolarHBondContact N-O 3.04Å; R89-D98 PolarHBondContact O-N 2.72Å
99	Y	68.1	Low	66.7	Low	141 Å²	141	86.2 Å²	86.2	55%	0.553	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.3	176.1	175.5	-95.1	0	0	0	110.3	Y86 Q102	Y86-Y99 HydrophobicContact CD1-CD2 4.42Å; Y86-Y99 AromaticContact CD1-CE2 3.32Å; Y86-Y99 HydrophobicContact CD1-CE2 3.32Å; Y86-Y99 AromaticContact CD1-CZ 3.91Å; Y86-Y99 AromaticContact CE1-CE2 3.74Å; Y86-Y99 HydrophobicContact CE1-CE2 3.74Å; Y86-Y99 AromaticContact CG-CE2 3.99Å; Y86-Y99 HydrophobicContact CG-CE2 3.99Å; Y99-Q102 PolarHBondContact OH-N 2.92Å
100	W	72.2	Confident	65.3	Low	71 Å²	71	91.3 Å²	91.3	27%	0.269	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-19.4	-177.7	-75.4	78	0	0	0	114.3	V16 D19 W26 C87 R89	V16-W100 HydrophobicContact CG1-CE3 3.88Å; V16-W100 HydrophobicContact CG1-CZ3 3.9Å; D19-W100 HydrophobicContact CB-CH2 3.32Å; D19-W100 HydrophobicContact CB-CZ2 4.28Å; D19-W100 HydrophobicContact CB-CZ3 3.57Å; W26-W100 HydrophobicContact CE3-CG 4.49Å; W26-W100 AromaticContact CH2-CD2 3.66Å; W26-W100 HydrophobicContact CH2-CD2 3.66Å; W26-W100 AromaticContact CH2-CE2 3.82Å; W26-W100 AromaticContact CH2-CE3 3.84Å; W26-W100 HydrophobicContact CH2-CE3 3.84Å; W26-W100 HydrophobicContact CH2-CG 4.16Å; W26-W100 HydrophobicContact CH2-CH2 4.34Å; W26-W100 HydrophobicContact CH2-CZ2 4.16Å; W26-W100 HydrophobicContact CH2-CZ3 4.18Å; W26-W100 HydrophobicContact CZ3-CB 4.1Å; W26-W100 AromaticContact CZ3-CD1 3.89Å; W26-W100 AromaticContact CZ3-CD2 3.52Å; W26-W100 HydrophobicContact CZ3-CD2 3.52Å; W26-W100 AromaticContact CZ3-CE2 3.95Å; W26-W100 AromaticContact CZ3-CE3 3.98Å; W26-W100 HydrophobicContact CZ3-CE3 3.98Å; W26-W100 AromaticContact CZ3-CG 3.51Å; W26-W100 HydrophobicContact CZ3-CG 3.51Å; C87-W100 PolarHBondContact O-N 3.16Å; R89-W100 HydrophobicContact CB-CD2 4.5Å; R89-W100 HydrophobicContact CB-CG 4.27Å; R89-W100 HydrophobicContact CB-CZ2 4.45Å
101	G	76.3	Confident	64.1	Low	15 Å²	15	95.4 Å²	95.4	16%	0.155	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.8	179.3	172.8	0	0	0	0	0	114	Y86 C87	Y86-G101 WeakPolarHBondContact CA-O 3.31Å; C87-G101 PolarHBondContact N-O 3.09Å; C87-G101 PolarHBondContact O-N 3.16Å; C87-G101 PolarHBondContact SG-O 3.31Å; C87-G101 VanDerWaalsContact SG-O 3.39Å
102	Q	73.6	Confident	63.8	Low	117 Å²	117	94.1 Å²	94.1	55%	0.547	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.1	167.1	-77.8	171	-11.8	0	0	108.8	T84 Y85 Y86 Y99	T84-Q102 HydrophobicContact CG2-CG 4.06Å; Y85-Q102 WeakPolarHBondContact O-CA 3.22Å; Y86-Q102 HydrophobicContact CD1-CB 4.43Å; Y86-Q102 HydrophobicContact CD1-CG 3.46Å; Y86-Q102 VanDerWaalsContact CD1-CG 3.46Å; Y86-Q102 HydrophobicContact CE1-CG 3.28Å; Y99-Q102 PolarHBondContact OH-N 2.92Å
103	G	60.5	Low	64.2	Low	15 Å²	15	91.7 Å²	91.7	16%	0.155	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-65	141.4	171.3	0	0	0	0	0	110.3	T13 Y85	T13-G103 WeakPolarHBondContact O-CA 3.42Å; Y85-G103 PolarHBondContact O-N 3.38Å
104	T	59.8	Low	64.7	Low	90 Å²	90	91.9 Å²	91.9	55%	0.552	48%	0.479	S	S	*	.	B	Isolated β-bridge	trans	-94.8	139.6	174.6	57.9	0	0	0	0	110	L12 T13	L12-T104 WeakPolarHBondContact CA-O 3.36Å; T13-T104 PolarHBondContact N-O 2.95Å; T13-T104 PolarHBondContact O-N 3.38Å; T13-T104 PolarHBondContact O-OG1 2.58Å
105	T	51.3	Low	65.3	Low	156 Å²	156	96 Å²	96	96%	0.957	49%	0.493	S	S	*	.			trans	-74	0	174.2	54.9	0	0	0	0	112.2	L10 L12	L10-T105 HydrophobicContact CD1-CG2 4.22Å; L12-T105 HydrophobicContact CD2-CG2 3.81Å

Retrieved 105 of 105 residues in 33.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).